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	hartrees
Energy at 0K	-358.587915
Energy at 298.15K	-358.595930
HF Energy	-357.537751
Nuclear repulsion energy	251.414921

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3167	3001	15.59
2	A'	3099	2935	10.95
3	A'	3078	2916	13.90
4	A'	1793	1698	418.29
5	A'	1528	1447	0.64
6	A'	1501	1422	4.12
7	A'	1448	1371	14.05
8	A'	1414	1339	85.61
9	A'	1364	1292	176.88
10	A'	1162	1100	18.91
11	A'	1089	1031	74.34
12	A'	963	912	121.00
13	A'	910	862	112.84
14	A'	739	700	7.05
15	A'	586	555	2.16
16	A'	391	370	1.53
17	A'	236	224	0.32
18	A"	3177	3010	28.86
19	A"	3152	2986	6.18
20	A"	1484	1405	5.64
21	A"	1297	1229	0.92
22	A"	1190	1127	4.82
23	A"	832	788	0.10
24	A"	795	753	18.90
25	A"	262	248	0.54
26	A"	124	118	1.15
27	A"	107	101	0.22

Atom	x (Å)	y (Å)	z (Å)
N1	1.103	-0.298	0.000
O2	0.000	0.561	0.000
O3	2.149	0.290	0.000
O4	0.887	-1.488	0.000
C5	-1.271	-0.132	0.000
C6	-2.322	0.967	0.000
H7	-1.340	-0.772	0.896
H8	-1.340	-0.772	-0.896
H9	-3.327	0.511	0.000
H10	-2.222	1.603	0.896
H11	-2.222	1.603	-0.896

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.3979	1.1999	1.2093	2.3793	3.6511	2.6450	2.6450	4.5032	3.9333	3.9333
O2	1.3979		2.1656	2.2326	1.4470	2.3572	2.0915	2.0915	3.3273	2.6126	2.6126
O3	1.1999	2.1656		2.1801	3.4451	4.5215	3.7554	3.7554	5.4800	4.6506	4.6506
O4	1.2093	2.2326	2.1801		2.5487	4.0407	2.5054	2.5054	4.6644	4.4746	4.4746
C5	2.3793	1.4470	3.4451	2.5487		1.5209	1.1030	1.1030	2.1545	2.1717	2.1717
C6	3.6511	2.3572	4.5215	4.0407	1.5209		2.1886	2.1886	1.1038	1.1031	1.1031
H7	2.6450	2.0915	3.7554	2.5054	1.1030	2.1886		1.7912	2.5288	2.5328	3.1026
H8	2.6450	2.0915	3.7554	2.5054	1.1030	2.1886	1.7912		2.5288	3.1026	2.5328
H9	4.5032	3.3273	5.4800	4.6644	2.1545	1.1038	2.5288	2.5288		1.7932	1.7932
H10	3.9333	2.6126	4.6506	4.4746	2.1717	1.1031	2.5328	3.1026	1.7932		1.7925
H11	3.9333	2.6126	4.6506	4.4746	2.1717	1.1031	3.1026	2.5328	1.7932	1.7925

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	113.497	O2	N1	O3	112.727
O2	N1	O4	117.639	O2	C5	C6	105.137
O2	C5	H7	109.467	O2	C5	H8	109.467
O3	N1	O4	129.634	C5	C6	H9	109.317
C5	C6	H10	110.704	C5	C6	H11	110.704
C6	C5	H7	112.062	C6	C5	H8	112.062
H7	C5	H8	108.572	H9	C6	H10	108.693
H9	C6	H11	108.693	H10	C6	H11	108.679

All results from a given calculation for C₂H₅NO₃ (Nitric acid, ethyl ester)

using model chemistry: CCSD/cc-pVDZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C2H5NO3 (Nitric acid, ethyl ester)

using model chemistry: CCSD/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₅NO₃ (Nitric acid, ethyl ester)